Basic information
- CAS
25260-60-0- Standard SMILES
CC(=O)OC/C=C\COC(C)=O- InChIKey
VZUAUHWZIKOMFC-ARJAWSKDSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- (2Z)-but-2-ene-1,4-diyl diacetate
- IUPAC
- [(Z)-4-acetyloxybut-2-enyl] acetate
- English name
- cis-1,4-Diacetoxy-2-butene
- Molecular formula
- C8H12O4
- Molecular weight
- 172.18
Names & synonyms
(2Z)-but-2-ene-1,4-diyl diacetateEC 607-674-02-butene-1,4-diol, diacetate, (2Z)-RefChem:3991752-Butene-1,4-diol, 1,4-diacetate, (2Z)-607-674-0InChI=1/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3cis-1,4-Diacetoxy-2-butene(Z)-But-2-ene-1,4-diyl diacetate25260-60-0[(Z)-4-acetyloxybut-2-enyl] acetatecis-2-Butene-1,4-diol diacetate
Show more names
TIMTEC-BB SBB008422CIS-DIACETOXY-2-BUTENECIS-2-BUTENE-1,4-DIACETATEcis-1,4-Diacetoxy-2-butene 95%cis-1,4-Diacetoxy-2-butene >CIS-2-BUTENE-1,4-DIOL DIACETATE(Z)-2-Butene-1,4-diyl diacetate(Z)-2-Butene-1,4-diol diacetate
cis-2-buten-1,4-diol diacetatecis-1,4-Diacetoxy-2-butene, 95%But-2-ene-1,4-diyl (Z)-DiacetateD1358D89843(2Z)-4-acetyloxybut-2-enyl acetateMFCD00059339MFCD00077968
Database identifiers
- CAS
25260-60-0- PubChem CID
- 643799
- EC Number
- 607-674-0
- Nikkaji
- J147.995D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 120 · 120-121 °C/18 mmHg (lit.)
- Density
- 1.08 g/mL · 1.08 g/mL at 25 °C (lit.)
- vapor pressure
- 0.24 · 0.24-13.1Pa at 20-50℃
- refractive index
- 1.4416 · 1.4416
- Flash point
- 110 °C · >110°C
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear colorless
- Water Solubility
- Not miscible in water.
- BRN
- 1724379 · 1724379
- InChI
- 1S/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3-
- InChIKey
- VZUAUHWZIKOMFC-ARJAWSKDSA-N
- SMILES
- [H]\C(COC(C)=O)=C(/[H])COC(C)=O
- LogP
- -0.1 · -0.1-1.1 at 25℃ and pH3.3
- CAS DataBase Reference
- 25260 · 25260-60-0(CAS DataBase Reference)
- FDA UNII
- 2 ONS010 · KA02ONS010
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P332+P313-P362+P364
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39-36
- WGK Germany
- 3 · 3
- HS Code
- 29161995 · 29161995
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 · Skin Irrit. 2
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.；There are 3 notifications provided by 40 of 41 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationStatus: Active Update: 06-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5231
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)；Eye Irrit. 2 (95.1%)；STOT SE 3 (95.1%)
Regulatory information
Regulatory InformationStatus: Active Update: 06-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5231
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29161995
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315
- REACH Registrations
- Active
- Hazard Classifications
- Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P332+P313-P362+P364
Chemistry & industry
Applications
Usescis-1,4-Diacetoxy-2-butene is used as an organic chemical synthesis intermediate.
General Descriptioncis-1,4-Diacetoxy-2-butene is an ester. Ruthenium olefin metathesis catalysts having cyclic (alkyl)(amino)carbenes effectively catalyzes the cross-metathesis of cis-1,4-diacetoxy-2-butene with allylbenzene. cis-1,4-Diacetoxy-2-butene on pyrolysis affords 1-acetoxy-1,3-butadiene, a diacetate and an isomeric 1,2-diacetoxy-3-butene. Mechanism of pyrolysis has been investigated.
Upstream & downstream products
Upstream raw materials
Suppliers49 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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Aladdin Scientific[email protected]
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TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
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天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
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Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
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Related reactions
6 records
Compound notes
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